4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-yl]-2-methyl-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazinyl]-2-methyl-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazino]-2-methyl-6-piperidino-pyrimidine Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C3=NC(=NC(=C3)N4CCCCC4)C

InChI

InChI=1S/C22H31N5O3S/c1-17-7-8-19(30-3)20(15-17)31(28,29)27-13-11-26(12-14-27)22-16-21(23-18(2)24-22)25-9-5-4-6-10-25/h7-8,15-16H,4-6,9-14H2,1-3H3